3-ethoxy-N-(furan-2-ylmethyl)-4-(2-oxo-2-piperidin-1-ylethoxy)-N-(2,2,2-trifluoroethyl)benzamide

C23H27F3N2O5 — CID 55452795

IUPAC3-ethoxy-N-(furan-2-ylmethyl)-4-(2-oxo-2-piperidin-1-ylethoxy)-N-(2,2,2-trifluoroethyl)benzamide
SMILESCCOc1cc(C(=O)N(Cc2ccco2)CC(F)(F)F)ccc1OCC(=O)N1CCCCC1
InChIInChI=1S/C23H27F3N2O5/c1-2-31-20-13-17(8-9-19(20)33-15-21(29)27-10-4-3-5-11-27)22(30)28(16-23(24,25)26)14-18-7-6-12-32-18/h6-9,12-13H,2-5,10-11,14-16H2,1H3
InChIKeyYJEAABUTTKQMJC-UHFFFAOYSA-N
MW468.47 g/mol
LogP4.27
Rot. Bonds9

About 3-ethoxy-N-(furan-2-ylmethyl)-4-(2-oxo-2-piperidin-1-ylethoxy)-N-(2,2,2-trifluoroethyl)benzamide

3-ethoxy-N-(furan-2-ylmethyl)-4-(2-oxo-2-piperidin-1-ylethoxy)-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 55452795) has the molecular formula C23H27F3N2O5 and a molecular weight of 468.47 g/mol. Its IUPAC name is 3-ethoxy-N-(furan-2-ylmethyl)-4-(2-oxo-2-piperidin-1-ylethoxy)-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name3-ethoxy-N-(furan-2-ylmethyl)-4-(2-oxo-2-piperidin-1-ylethoxy)-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID55452795
Molecular FormulaC23H27F3N2O5
Molecular Weight468.47 g/mol
Exact Mass468.19
IUPAC Name3-ethoxy-N-(furan-2-ylmethyl)-4-(2-oxo-2-piperidin-1-ylethoxy)-N-(2,2,2-trifluoroethyl)benzamide
SMILESCCOc1cc(C(=O)N(Cc2ccco2)CC(F)(F)F)ccc1OCC(=O)N1CCCCC1
InChIInChI=1S/C23H27F3N2O5/c1-2-31-20-13-17(8-9-19(20)33-15-21(29)27-10-4-3-5-11-27)22(30)28(16-23(24,25)26)14-18-7-6-12-32-18/h6-9,12-13H,2-5,10-11,14-16H2,1H3
InChIKeyYJEAABUTTKQMJC-UHFFFAOYSA-N
XLogP4.27
TPSA72.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.47
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-ethoxy-N-(furan-2-ylmethyl)-4-(2-oxo-2-piperidin-1-ylethoxy)-N-(2,2,2-trifluoroethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(furan-2-ylmethyl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]-N-(2,2,2-trifluoroethyl)benzamide
CID 55773477
N-benzyl-3-ethoxy-N-methyl-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
CID 29260956
2-[4-(azocane-1-carbonyl)-2-ethoxyphenoxy]-1-piperidin-1-ylethanone
CID 112793126
ethyl 2-[[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]-(2-methoxyethyl)amino]acetate
CID 55726487
(2R)-2-[[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]-methylamino]propanoic acid
CID 100641368
3-ethoxy-N-methyl-N-[2-(2-methylphenoxy)ethyl]-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
CID 43033984
N-(1-aminopropan-2-yl)-3-ethoxy-N-methyl-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide;hydrochloride
CID 119582017
3-ethoxy-N-ethyl-N-naphthalen-2-yl-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
CID 60607400
N-[[4-(difluoromethoxy)phenyl]methyl]-3-ethoxy-N-methyl-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
CID 34972567
N-(2-anilino-2-oxoethyl)-3-ethoxy-N-methyl-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
CID 46425050
N-(furan-2-ylmethyl)-3-(2-methylpropoxy)-N-(2,2,2-trifluoroethyl)benzamide
CID 55452898
3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid
CID 5169130

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(furan-2-ylmethyl)-4-(2-oxo-2-piperidin-1-ylethoxy)-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 3-ethoxy-N-(furan-2-ylmethyl)-4-(2-oxo-2-piperidin-1-ylethoxy)-N-(2,2,2-trifluoroethyl)benzamide (CID 55452795) is 3-ethoxy-N-(furan-2-ylmethyl)-4-(2-oxo-2-piperidin-1-ylethoxy)-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 3-ethoxy-N-(furan-2-ylmethyl)-4-(2-oxo-2-piperidin-1-ylethoxy)-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 3-ethoxy-N-(furan-2-ylmethyl)-4-(2-oxo-2-piperidin-1-ylethoxy)-N-(2,2,2-trifluoroethyl)benzamide is CCOc1cc(C(=O)N(Cc2ccco2)CC(F)(F)F)ccc1OCC(=O)N1CCCCC1.
What is the InChIKey of 3-ethoxy-N-(furan-2-ylmethyl)-4-(2-oxo-2-piperidin-1-ylethoxy)-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is YJEAABUTTKQMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F3N2O5/c1-2-31-20-13-17(8-9-19(20)33-15-21(29)27-10-4-3-5-11-27)22(30)28(16-23(24,25)26)14-18-7-6-12-32-18/h6-9,12-13H,2-5,10-11,14-16H2,1H3.
What are the key properties of 3-ethoxy-N-(furan-2-ylmethyl)-4-(2-oxo-2-piperidin-1-ylethoxy)-N-(2,2,2-trifluoroethyl)benzamide?
3-ethoxy-N-(furan-2-ylmethyl)-4-(2-oxo-2-piperidin-1-ylethoxy)-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 468.47 g/mol, XLogP of 4.27, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(furan-2-ylmethyl)-4-(2-oxo-2-piperidin-1-ylethoxy)-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 55452795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).